N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-2-oxo-chromene-3-carboxamide CAS Name: N-[3-[(2-chlorophenyl)methylthio]-4-cyano-1H-pyrazol-5-yl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-2-oxochromene-3-carboxamide Traditional Name: N-[3-[(2-chlorobenzyl)thio]-4-cyano-1H-pyrazol-5-yl]-2-keto-chromene-3-carboxamide Formula: C21H13ClN4O3S MolecularWeight: 436.87092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=C(C(=NN3)SCC4=CC=CC=C4Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=C(C(=NN3)SCC4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C21H13ClN4O3S/c22-16-7-3-1-6-13(16)11-30-20-15(10-23)18(25-26-20)24-19(27)14-9-12-5-2-4-8-17(12)29-21(14)28/h1-9H,11H2,(H2,24,25,26,27)